2-(1-methylpyrrolidin-2-yl)acetonitrile

C7H12N2 — CID 12648938

IUPAC2-(1-methylpyrrolidin-2-yl)acetonitrile
SMILESCN1CCCC1CC#N
InChIInChI=1S/C7H12N2/c1-9-6-2-3-7(9)4-5-8/h7H,2-4,6H2,1H3
InChIKeyOVIXBUQHNFPUEP-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.99
Rot. Bonds1

About 2-(1-methylpyrrolidin-2-yl)acetonitrile

2-(1-methylpyrrolidin-2-yl)acetonitrile (PubChem CID 12648938) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(1-methylpyrrolidin-2-yl)acetonitrile
PubChem CID12648938
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2-(1-methylpyrrolidin-2-yl)acetonitrile
SMILESCN1CCCC1CC#N
InChIInChI=1S/C7H12N2/c1-9-6-2-3-7(9)4-5-8/h7H,2-4,6H2,1H3
InChIKeyOVIXBUQHNFPUEP-UHFFFAOYSA-N
XLogP0.99
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolidin-2-yl)acetonitrile?
The IUPAC name of 2-(1-methylpyrrolidin-2-yl)acetonitrile (CID 12648938) is 2-(1-methylpyrrolidin-2-yl)acetonitrile.
What is the SMILES notation for 2-(1-methylpyrrolidin-2-yl)acetonitrile?
The canonical SMILES for 2-(1-methylpyrrolidin-2-yl)acetonitrile is CN1CCCC1CC#N.
What is the InChIKey of 2-(1-methylpyrrolidin-2-yl)acetonitrile?
The InChIKey is OVIXBUQHNFPUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-9-6-2-3-7(9)4-5-8/h7H,2-4,6H2,1H3.
What are the key properties of 2-(1-methylpyrrolidin-2-yl)acetonitrile?
2-(1-methylpyrrolidin-2-yl)acetonitrile has a molecular weight of 124.19 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolidin-2-yl)acetonitrile is sourced from PubChem (CID 12648938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).